N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C19H14ClF3N4O — CID 22249429

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C19H14ClF3N4O/c20-16-4-3-13(10-15(16)19(21,22)23)27-18(28)14-2-1-7-25-17(14)26-11-12-5-8-24-9-6-12/h1-10H,11H2,(H,25,26)(H,27,28)
InChIKeyIRJYTBZJDRZLFV-UHFFFAOYSA-N
MW406.80 g/mol
LogP5.01
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 22249429) has the molecular formula C19H14ClF3N4O and a molecular weight of 406.80 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID22249429
Molecular FormulaC19H14ClF3N4O
Molecular Weight406.80 g/mol
Exact Mass406.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C19H14ClF3N4O/c20-16-4-3-13(10-15(16)19(21,22)23)27-18(28)14-2-1-7-25-17(14)26-11-12-5-8-24-9-6-12/h1-10H,11H2,(H,25,26)(H,27,28)
InChIKeyIRJYTBZJDRZLFV-UHFFFAOYSA-N
XLogP5.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.80
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 22249429) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccnc1NCc1ccncc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is IRJYTBZJDRZLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O/c20-16-4-3-13(10-15(16)19(21,22)23)27-18(28)14-2-1-7-25-17(14)26-11-12-5-8-24-9-6-12/h1-10H,11H2,(H,25,26)(H,27,28).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 406.80 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 22249429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).